Geometry & MOs

Info

ID:	287953
PubChem CID:	104302144
Reduced:	BrClSC14H14 (1)
Stoich.:	ABCD14E14 (1)
Weight, g/mol:	255.077454
ΔH_f, kcal/mol:	14.85
Dipole, Da:	2.7
IP(EA), eV:	-9.27(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-chloro-N,3-dimethylbenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C(C2=CC(=C(C=C2)Cl)C)Br

DOS

IR

Vibrations